2-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]benzyl]isoindoline-1,3-quinone Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H31N3O3/c1-21(2)35-27-13-6-5-12-26(27)31-16-14-30(15-17-31)19-22-8-7-9-23(18-22)20-32-28(33)24-10-3-4-11-25(24)29(32)34/h3-13,18,21H,14-17,19-20H2,1-2H3